Compounds

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2092944

Name:
(S)2-Methyl-3-phenethyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine hydrShow More⌵

Mol. Formula:
C24H25ClN2

M.W.:
376.93

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2092943

Name:
(R)3-Ethyl-2-methyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine hydrochlShow More⌵

Mol. Formula:
C18H21ClN2

M.W.:
300.83

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1794847

Name:
3-[2-(4-Chloro-phenyl)-ethyl]-2-methyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3Show More⌵

Mol. Formula:
C28H27ClN2O4

M.W.:
490.99

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1794846

Name:
N,N-Diethyl-N'-(2-methyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepin-3-ylShow More⌵

Mol. Formula:
C26H34N4O4

M.W.:
466.58

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
30.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1794845

Name:
Dimethyl-(2-methyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepin-3-ylmethylShow More⌵

Mol. Formula:
C23H27N3O4

M.W.:
409.49

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
18.84

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA1794844

Name:
1-(3-Ethyl-4-methyl-1-phenyl-4,5-dihydro-1H-benzo[e][1,3]diazepin-1-yl)-ethShow More⌵

Mol. Formula:
C24H26N2O5

M.W.:
422.48

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
32.67

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1794843

Name:
2-Methyl-3-morpholin-4-ylmethyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepShow More⌵

Mol. Formula:
C25H29N3O5

M.W.:
451.52

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
28.07

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1794842

Name:
3-Ethyl-2,5-dimethyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine;FumaricShow More⌵

Mol. Formula:
C23H26N2O4

M.W.:
394.47

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1794841

Name:
2-Methyl-3-(4-methyl-piperazin-1-ylmethyl)-5-phenyl-2,5-dihydro-1H-benzo[e]Show More⌵

Mol. Formula:
C26H32N4O4

M.W.:
464.57

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
22.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1794840

Name:
2-Methyl-5-phenyl-3-piperidin-1-ylmethyl-2,5-dihydro-1H-benzo[e][1,3]diazepShow More⌵

Mol. Formula:
C26H31N3O4

M.W.:
449.55

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
18.84

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1794839

Name:
5-Benzyl-2-methyl-3-phenethyl-2,5-dihydro-1H-benzo[e][1,3]diazepine;FumaricShow More⌵

Mol. Formula:
C29H30N2O4

M.W.:
470.57

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1794838

Name:
2,3,5-Trimethyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepineFumaric acid

Mol. Formula:
C22H24N2O4

M.W.:
380.44

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1794837

Name:
3-Ethyl-4-methyl-1-phenyl-4,5-dihydro-1H-benzo[e][1,3]diazepine-1-carboxyliShow More⌵

Mol. Formula:
C25H28N2O6

M.W.:
452.51

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
41.90

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1788311

Name:
(R)2-Methyl-3-phenethyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine hydrShow More⌵

Mol. Formula:
C24H25ClN2

M.W.:
376.93

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1788310

Name:
(S)3-Ethyl-2-methyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine hydrochlShow More⌵

Mol. Formula:
C18H21ClN2

M.W.:
300.83

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1204287

Name:
2-Methyl-3-phenethyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine hydrochShow More⌵

Mol. Formula:
C24H25ClN2

M.W.:
376.93

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1203147

Name:
3-(2-Cyclohexyl-ethyl)-2-methyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepShow More⌵

Mol. Formula:
C24H31ClN2

M.W.:
382.98

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1203146

Name:
3-Ethyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine hydrochloride

Mol. Formula:
C17H19ClN2

M.W.:
286.81

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1203145

Name:
3-Ethyl-2-isopropyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine hydrochlShow More⌵

Mol. Formula:
C20H25ClN2

M.W.:
328.89